Ethyl cysteinate hydrochloride

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  • Identifiers

    CAS number
    868-59-7

    Molecular formula
    C5H12ClNO2S

    SMILES
    CCOC(=O)[C@H](CS)N.Cl

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 51.72%
    Fruity 50.63%
    Meaty 40.37%
    Tropical 35.7%
    Grape 32.01%
    Savory 31.19%
    Roasted 29.69%
    Sweet 27.19%
    Cooked 24.63%
    Onion 24.43%

     

    Flavor
    Odorless 38.77%
    Fruity 34.49%
    Mild 29.78%
    Sulfury 28.61%
    Roasted 23.34%
    Cooked 23.31%
    Bland 22.92%
    Sweet-like 22.25%
    Sulfurous 22.22%
    Yeast 21.57%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    6.36 (neutral)

    Molecular weight
    185.67 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    226°C

    Flash point

    • 90.7 ˚C est.

  • Synonyms

    • 868-59-7
    • Ethyl L-cysteinate hydrochloride
    • Ethyl cysteinate hydrochloride
    • Cysteine ethyl ester hydrochloride
    • ethyl cysteine hydrochloride
    • Mucastine
    • Taiciscon
    • Ethyl L-cysteine hydrochloride
    • Teincy
    • Daiace (TN)
    • DTXSID4046527
    • L-Cysteine, ethyl ester, hydrochloride
    • Daiace
    • AM467TB2I1
    • DTXCID2026527
    • L-Cysteine, ethyl ester, hydrochloride (1:1)
    • CYSTEINE, ETHYL ESTER, HYDROCHLORIDE, L-
    • NSC-117387
    • ETHYL L-CYSTEINE HYDROCHLORIDE [JAN]
    • EINECS 212-779-6
    • L-CYSTEINE ETHYL ESTER, HYDROCHLORIDE
    • NSC 117387
    • NSC 519837
    • Cysteine ethyl ester hydrochloride (VAN)
    • L-CYSTEINE ETHYL ESTER, HYDROCHLORIDE [WHO-DD]
    • ETHYL L-2-AMINO-3-MERCAPTOPROPIONATE HYDROCHLORIDE
    • RefChem:596169
    • Ethyl Lcysteinate hydrochloride
    • Ethyl L-cysteine hydrochloride (JP17)
    • 212-779-6
    • L-Cysteine ethyl ester hydrochloride
    • H-Cys-OEt.HCl
    • L-CYSTEINE ETHYL ESTER HCl
    • (R)-ethyl 2-amino-3-mercaptopropanoate hydrochloride
    • L-cystein ethyl ester hydrochloride
    • MFCD00012631
    • Ethitanin
    • H-Cys-Oet HCl
    • L-Cysteine ethyl ester, HCl
    • M03085
    • ethyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride
    • L-Cysteineethylesterhydrochloride
    • NCGC00166061-01
    • Cysteine, ethyl ester, hydrochloride
    • Cystanin; Ethyl L-cysteinate hydrochloride; Ethyl cysteinate hydrochloride; NSC 117387; NSC 519837;
    • ethyl (2R)-2-amino-3-sulfanylpropanoate hydrochloride
    • H-Cys-OEt?Cl
    • SCHEMBL123379
    • cystein ethylester hydrochloride
    • CHEMBL2360297
    • CHEBI:31569
    • L-cystein ethylester hydrochloride
    • L-Cysteine Ethylester Hydrochloride
    • BB_NC-02280
    • CS-B1669
    • HY-Y1875
    • Tox21_112301
    • SBB065777
    • AKOS015845207
    • AKOS015892705
    • FC37639
    • Ethyl L-cysteine hydrochloride (JP18)
    • AS-12775
    • BP-12417
    • CAS-868-59-7
    • PD197339
    • SY020967
    • L-Cysteine ethyl ester hydrochloride, 98%
    • NS00079889
    • NS00091749
    • Ethyl L-cysteinate--hydrogen chloride (1/1)
    • D01559
    • D70639
    • SBI-0653853.0001
    • EN300-7386257
    • 868C597
    • Q27273999
    • [(1R)-2-ethoxy-2-oxo-1-(sulfanylmethyl)ethyl]ammonium;chloride
    • 868-59-7

  • Applications

    Ethyl cysteinate hydrochloride is mainly used as a synthetic building block in pharmaceutical and fine-chemical applications, serving as a chiral amino acid ester intermediate and hydrochloride salt for introducing a cysteine moiety and for protecting-group strategies in peptide synthesis. It is commonly employed as a starting material in medicinal chemistry workflows to prepare cysteine-containing compounds and various API precursors. The compound can also function as a precursor for ligands and catalysts in organometallic chemistry, leveraging its amino and sulfur functionalities. In flavor and fragrance chemistry, cysteine-derived esters can act as precursors to sulfur-containing aroma compounds, so ethyl cysteinate hydrochloride may be explored for such applications, depending on formulation and requirements. Additionally, it may appear as a specialty reagent in polymer or materials chemistry where amino acid esters are used to modify polymers or to serve in protection/derivatization schemes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 144.47
    methanol 436.03
    isopropanol 69.36
    water 117.48
    ethyl acetate 12.25
    n-propanol 75.57
    acetone 68.24
    n-butanol 53.59
    acetonitrile 63.45
    DMF 248.38
    toluene 5.83
    isobutanol 44.35
    1,4-dioxane 72.15
    methyl acetate 25.84
    THF 67.84
    2-butanone 32.43
    n-pentanol 52.16
    sec-butanol 41.27
    n-hexane 1.32
    ethylene glycol 147.75
    NMP 187.57
    cyclohexane 2.67
    DMSO 421.8
    n-butyl acetate 14.57
    n-octanol 24.44
    chloroform 47.85
    n-propyl acetate 17.2
    acetic acid 210.25
    dichloromethane 71.97
    cyclohexanone 59.76
    propylene glycol 76.9
    isopropyl acetate 8.48
    DMAc 169.93
    2-ethoxyethanol 135.16
    isopentanol 35.59
    n-heptane 1.66
    ethyl formate 46.61
    1,2-dichloroethane 40.17
    n-hexanol 28.67
    2-methoxyethanol 205.64
    isobutyl acetate 11.43
    tetrachloromethane 7.63
    n-pentyl acetate 19.41
    transcutol 144.04
    n-heptanol 24.48
    ethylbenzene 6.45
    MIBK 13.61
    2-propoxyethanol 76.99
    tert-butanol 50.19
    MTBE 15.01
    2-butoxyethanol 61.03
    propionic acid 73.48
    o-xylene 9.21
    formic acid 330.66
    diethyl ether 11.71
    m-xylene 5.95
    p-xylene 10.65
    chlorobenzene 17.8
    dimethyl carbonate 12.31
    n-octane 1.35
    formamide 254.93
    cyclopentanone 73.36
    2-pentanone 17.87
    anisole 21.53
    cyclopentyl methyl ether 17.54
    gamma-butyrolactone 91.04
    1-methoxy-2-propanol 87.52
    pyridine 58.41
    3-pentanone 14.17
    furfural 143.62
    n-dodecane 1.6
    diethylene glycol 118.6
    diisopropyl ether 3.72
    tert-amyl alcohol 37.57
    acetylacetone 27.97
    n-hexadecane 1.71
    acetophenone 35.65
    methyl propionate 16.67
    isopentyl acetate 15.34
    trichloroethylene 69.82
    n-nonanol 20.91
    cyclohexanol 34.88
    benzyl alcohol 49.79
    2-ethylhexanol 16.8
    isooctanol 19.57
    dipropyl ether 8.05
    1,2-dichlorobenzene 22.79
    ethyl lactate 28.63
    propylene carbonate 44.87
    n-methylformamide 152.71
    2-pentanol 21.25
    n-pentane 1.6
    1-propoxy-2-propanol 41.67
    1-methoxy-2-propyl acetate 20.95
    2-(2-methoxypropoxy) propanol 51.14
    mesitylene 5.12
    ε-caprolactone 53.63
    p-cymene 7.6
    epichlorohydrin 79.48
    1,1,1-trichloroethane 15.18
    2-aminoethanol 141.82
    morpholine-4-carbaldehyde 153.18
    sulfolane 172.95
    2,2,4-trimethylpentane 1.41
    2-methyltetrahydrofuran 34.43
    n-hexyl acetate 26.55
    isooctane 0.99
    2-(2-butoxyethoxy)ethanol 65.96
    sec-butyl acetate 8.58
    tert-butyl acetate 11.56
    decalin 2.17
    glycerin 145.92
    diglyme 114.69
    acrylic acid 100.87
    isopropyl myristate 11.19
    n-butyric acid 59.65
    acetyl acetate 13.62
    di(2-ethylhexyl) phthalate 25.99
    ethyl propionate 11.85
    nitromethane 202.1
    1,2-diethoxyethane 27.2
    benzonitrile 45.97
    trioctyl phosphate 18.08
    1-bromopropane 11.65
    gamma-valerolactone 119.7
    n-decanol 16.13
    triethyl phosphate 13.32
    4-methyl-2-pentanol 13.48
    propionitrile 35.74
    vinylene carbonate 56.3
    1,1,2-trichlorotrifluoroethane 116.27
    DMS 21.43
    cumene 7.49
    2-octanol 16.02
    2-hexanone 22.91
    octyl acetate 17.25
    limonene 10.04
    1,2-dimethoxyethane 127.19
    ethyl orthosilicate 12.1
    tributyl phosphate 17.51
    diacetone alcohol 33.36
    N,N-dimethylaniline 24.04
    acrylonitrile 70.9
    aniline 24.54
    1,3-propanediol 128.24
    bromobenzene 12.5
    dibromomethane 31.84
    1,1,2,2-tetrachloroethane 54.32
    2-methyl-cyclohexyl acetate 21.12
    tetrabutyl urea 28.85
    diisobutyl methanol 9.75
    2-phenylethanol 33.46
    styrene 8.39
    dioctyl adipate 23.84
    dimethyl sulfate 37.72
    ethyl butyrate 12.82
    methyl lactate 38.44
    butyl lactate 31.15
    diethyl carbonate 11.61
    propanediol butyl ether 66.07
    triethyl orthoformate 12.99
    p-tert-butyltoluene 6.98
    methyl 4-tert-butylbenzoate 39.33
    morpholine 76.06
    tert-butylamine 24.43
    n-dodecanol 12.74
    dimethoxymethane 59.27
    ethylene carbonate 38.08
    cyrene 74.12
    2-ethoxyethyl acetate 28.94
    2-ethylhexyl acetate 11.3
    1,2,4-trichlorobenzene 30.51
    4-methylpyridine 41.45
    dibutyl ether 11.08
    2,6-dimethyl-4-heptanol 9.75
    DEF 45.5
    dimethyl isosorbide 68.12
    tetrachloroethylene 45.96
    eugenol 53.1
    triacetin 36.94
    span 80 50.38
    1,4-butanediol 91.14
    1,1-dichloroethane 18.93
    2-methyl-1-pentanol 37.71
    methyl formate 115.03
    2-methyl-1-butanol 35.31
    n-decane 2.08
    butyronitrile 36.5
    3,7-dimethyl-1-octanol 19.01
    1-chlorooctane 8.31
    1-chlorotetradecane 4.23
    n-nonane 1.84
    undecane 1.77
    tert-butylcyclohexane 1.96
    cyclooctane 1.13
    cyclopentanol 47.73
    tetrahydropyran 28.53
    tert-amyl methyl ether 12.39
    2,5,8-trioxanonane 88.2
    1-hexene 4.9
    2-isopropoxyethanol 68.16
    2,2,2-trifluoroethanol 87.58
    methyl butyrate 24.29

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction